N-[1-[[7-[(2,4-difluorophenyl)methoxy]-1H-indol-2-yl]methyl]-2-oxo-3-pyridinyl]formamide

C22H17F2N3O3 — CID 153403281

IUPACN-[1-[[7-[(2,4-difluorophenyl)methoxy]-1H-indol-2-yl]methyl]-2-oxo-3-pyridinyl]formamide
SMILESO=CNc1cccn(Cc2cc3cccc(OCc4ccc(F)cc4F)c3[nH]2)c1=O
InChIInChI=1S/C22H17F2N3O3/c23-16-7-6-15(18(24)10-16)12-30-20-5-1-3-14-9-17(26-21(14)20)11-27-8-2-4-19(22(27)29)25-13-28/h1-10,13,26H,11-12H2,(H,25,28)
InChIKeyUWGXKUHJULWURP-UHFFFAOYSA-N
MW409.39 g/mol
LogP3.80
Rot. Bonds7

About N-[1-[[7-[(2,4-difluorophenyl)methoxy]-1H-indol-2-yl]methyl]-2-oxo-3-pyridinyl]formamide

N-[1-[[7-[(2,4-difluorophenyl)methoxy]-1H-indol-2-yl]methyl]-2-oxo-3-pyridinyl]formamide (PubChem CID 153403281) has the molecular formula C22H17F2N3O3 and a molecular weight of 409.39 g/mol. Its IUPAC name is N-[1-[[7-[(2,4-difluorophenyl)methoxy]-1H-indol-2-yl]methyl]-2-oxo-3-pyridinyl]formamide.

Molecular Properties

Compound NameN-[1-[[7-[(2,4-difluorophenyl)methoxy]-1H-indol-2-yl]methyl]-2-oxo-3-pyridinyl]formamide
PubChem CID153403281
Molecular FormulaC22H17F2N3O3
Molecular Weight409.39 g/mol
Exact Mass409.12
IUPAC NameN-[1-[[7-[(2,4-difluorophenyl)methoxy]-1H-indol-2-yl]methyl]-2-oxo-3-pyridinyl]formamide
SMILESO=CNc1cccn(Cc2cc3cccc(OCc4ccc(F)cc4F)c3[nH]2)c1=O
InChIInChI=1S/C22H17F2N3O3/c23-16-7-6-15(18(24)10-16)12-30-20-5-1-3-14-9-17(26-21(14)20)11-27-8-2-4-19(22(27)29)25-13-28/h1-10,13,26H,11-12H2,(H,25,28)
InChIKeyUWGXKUHJULWURP-UHFFFAOYSA-N
XLogP3.80
TPSA76.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.39
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze N-[1-[[7-[(2,4-difluorophenyl)methoxy]-1H-indol-2-yl]methyl]-2-oxo-3-pyridinyl]formamide with MolForge

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Related Compounds

Vegfr-2-IN-9
CID 5329372
3-{5-[2-(4-acetylpiperazin-1-yl)ethoxy]-1H-indol-2-yl}-1,2-dihydroquinolin-2-one
CID 5329373
US20250114338, Example 215
CID 121410605
US20250114338, Example 104
CID 121410617
US20250114338, Example 218
CID 121410701
US20250114338, Example 103
CID 121410729
US20250114338, Example 159
CID 121410763
US20250114338, Example 138
CID 121410959
US20250114338, Example 222
CID 121410977
US10221173, Example 10
CID 135277085
US10221173, Example 24
CID 135343569
(5-fluoro-1H-indol-2-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 4912133

Frequently Asked Questions

What is the IUPAC name of N-[1-[[7-[(2,4-difluorophenyl)methoxy]-1H-indol-2-yl]methyl]-2-oxo-3-pyridinyl]formamide?
The IUPAC name of N-[1-[[7-[(2,4-difluorophenyl)methoxy]-1H-indol-2-yl]methyl]-2-oxo-3-pyridinyl]formamide (CID 153403281) is N-[1-[[7-[(2,4-difluorophenyl)methoxy]-1H-indol-2-yl]methyl]-2-oxo-3-pyridinyl]formamide.
What is the SMILES notation for N-[1-[[7-[(2,4-difluorophenyl)methoxy]-1H-indol-2-yl]methyl]-2-oxo-3-pyridinyl]formamide?
The canonical SMILES for N-[1-[[7-[(2,4-difluorophenyl)methoxy]-1H-indol-2-yl]methyl]-2-oxo-3-pyridinyl]formamide is O=CNc1cccn(Cc2cc3cccc(OCc4ccc(F)cc4F)c3[nH]2)c1=O.
What is the InChIKey of N-[1-[[7-[(2,4-difluorophenyl)methoxy]-1H-indol-2-yl]methyl]-2-oxo-3-pyridinyl]formamide?
The InChIKey is UWGXKUHJULWURP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F2N3O3/c23-16-7-6-15(18(24)10-16)12-30-20-5-1-3-14-9-17(26-21(14)20)11-27-8-2-4-19(22(27)29)25-13-28/h1-10,13,26H,11-12H2,(H,25,28).
What are the key properties of N-[1-[[7-[(2,4-difluorophenyl)methoxy]-1H-indol-2-yl]methyl]-2-oxo-3-pyridinyl]formamide?
N-[1-[[7-[(2,4-difluorophenyl)methoxy]-1H-indol-2-yl]methyl]-2-oxo-3-pyridinyl]formamide has a molecular weight of 409.39 g/mol, XLogP of 3.80, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[7-[(2,4-difluorophenyl)methoxy]-1H-indol-2-yl]methyl]-2-oxo-3-pyridinyl]formamide is sourced from PubChem (CID 153403281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).